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1-Docosanol

CAT: 0926-FD137295-01Size: 0.1 KgDry Ice: NoHazardous: No
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CAT#:0926-FD137295-01Size:0.1 Kg
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CAS Number
661-19-8
MDL Number
MFCD00002939
Smiles
CCCCCCCCCCCCCCCCCCCCCCO
Molecular Formula
C22H46O
Molecular Weight
326.6 g/mol
Controlled
No

Chemical Information

Behenyl Alcohol

Docosan-1-ol is a long-chain primary fatty alcohol that is docosane substituted by a hydroxy group at position 1. It is a non-prescription medicine approved by the FDA to shorten healing time of cold sores. It has a role as an antiviral drug and a plant metabolite. It is a docosanol and a long-chain primary fatty alcohol.

CAS Number661-19-8
PubChem CID12620
IUPAC Namedocosan-1-ol
Molecular FormulaC22H46O
Molecular Weight326.6
XLogP10.5
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count20
Heavy Atom Count23
Formal Charge0
Complexity190
SMILES
CCCCCCCCCCCCCCCCCCCCCCO
InChI
InChI=1S/C22H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H3
InChIKey
NOPFSRXAKWQILS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Behenyl Alcohol
CAS: 661-19-8
CID: 12620
Formula: C22H46O
MW: 326.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.6
XLogP310.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count20
Exact Mass326.354866087
Monoisotopic Mass326.354866087
Topological Polar Surface Area20.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity190
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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OR1009451-011-Docosanol
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TRC-D678857-250MG1-Docosanol-d45
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